2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine

C11H20ClNO — CID 106439143

IUPAC2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine
SMILESCC(=CCl)COC1CCCCCC1N
InChIInChI=1S/C11H20ClNO/c1-9(7-12)8-14-11-6-4-2-3-5-10(11)13/h7,10-11H,2-6,8,13H2,1H3
InChIKeyQGTOARJYHMGUNZ-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.81
Rot. Bonds3

About 2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine

2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine (PubChem CID 106439143) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine
PubChem CID106439143
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine
SMILESCC(=CCl)COC1CCCCCC1N
InChIInChI=1S/C11H20ClNO/c1-9(7-12)8-14-11-6-4-2-3-5-10(11)13/h7,10-11H,2-6,8,13H2,1H3
InChIKeyQGTOARJYHMGUNZ-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-Methylprop-2-enoxy)octane-1,6-diamine
CID 135359277
2-(2,3-Dichloroprop-2-enoxy)cycloheptan-1-amine
CID 104284561
2-(3-Methylbut-2-enoxy)cycloheptan-1-amine
CID 104284609
2-(2-Chloroprop-2-enoxy)cycloheptan-1-amine
CID 104284652
2-(2-Methylprop-2-enoxy)cycloheptan-1-amine
CID 104284701
2-[(E)-3-chloroprop-2-enoxy]cycloheptan-1-amine
CID 104284738
2-(2-Methylidenebutoxy)cycloheptan-1-amine
CID 104284765
2-(3-Chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
CID 106439145
2-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine
CID 133665533
2-[(E)-3-chloro-2-methylprop-2-enoxy]cycloheptan-1-amine
CID 133668009

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine?
The IUPAC name of 2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine (CID 106439143) is 2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine.
What is the SMILES notation for 2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine?
The canonical SMILES for 2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine is CC(=CCl)COC1CCCCCC1N.
What is the InChIKey of 2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine?
The InChIKey is QGTOARJYHMGUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-9(7-12)8-14-11-6-4-2-3-5-10(11)13/h7,10-11H,2-6,8,13H2,1H3.
What are the key properties of 2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine?
2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine has a molecular weight of 217.74 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylprop-2-enoxy)cycloheptan-1-amine is sourced from PubChem (CID 106439143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).